N-(2,3-dimethylcyclohexyl)-2-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C22H30N4O5S2 — CID 4528163

About N-(2,3-dimethylcyclohexyl)-2-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-(2,3-dimethylcyclohexyl)-2-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 4528163) has the molecular formula C22H30N4O5S2 and a molecular weight of 494.64 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(2,3-dimethylcyclohexyl)-2-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
• PubChem CID: 4528163
• Molecular Formula: C22H30N4O5S2
• Molecular Weight: 494.64 g/mol
• Exact Mass: 494.17
• IUPAC Name: N-(2,3-dimethylcyclohexyl)-2-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
• SMILES: CC1CCCC(NC(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)o2)C1C
• InChI: InChI=1S/C22H30N4O5S2/c1-15-5-3-8-19(16(15)2)23-20(27)14-32-22-25-24-21(31-22)17-6-4-7-18(13-17)33(28,29)26-9-11-30-12-10-26/h4,6-7,13,15-16,19H,3,5,8-12,14H2,1-2H3,(H,23,27)
• InChIKey: MAMDQTQCAHZLBS-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 114.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.64
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?

The IUPAC name of N-(2,3-dimethylcyclohexyl)-2-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 4528163) is N-(2,3-dimethylcyclohexyl)-2-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?

The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is CC1CCCC(NC(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)o2)C1C.

What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?

The InChIKey is MAMDQTQCAHZLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O5S2/c1-15-5-3-8-19(16(15)2)23-20(27)14-32-22-25-24-21(31-22)17-6-4-7-18(13-17)33(28,29)26-9-11-30-12-10-26/h4,6-7,13,15-16,19H,3,5,8-12,14H2,1-2H3,(H,23,27).

What are the key properties of N-(2,3-dimethylcyclohexyl)-2-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?

N-(2,3-dimethylcyclohexyl)-2-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 494.64 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dimethylcyclohexyl)-2-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 4528163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).